(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C14H27N3O3S — CID 160908766

IUPAC(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C14H27N3O3S/c1-12(2)15-8-10-16(11-9-15)14(18)13-4-6-17(7-5-13)21(3,19)20/h12-13H,4-11H2,1-3H3
InChIKeyYUVBJRSCSQYQMD-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.21
Rot. Bonds3

About (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 160908766) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID160908766
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C14H27N3O3S/c1-12(2)15-8-10-16(11-9-15)14(18)13-4-6-17(7-5-13)21(3,19)20/h12-13H,4-11H2,1-3H3
InChIKeyYUVBJRSCSQYQMD-UHFFFAOYSA-N
XLogP0.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725414
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 46585046
[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 176796856
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110741284
1-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 62045564
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003863

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 160908766) is (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is YUVBJRSCSQYQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-12(2)15-8-10-16(11-9-15)14(18)13-4-6-17(7-5-13)21(3,19)20/h12-13H,4-11H2,1-3H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 317.46 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 160908766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).